5-[4-(cycloheptylamino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-(cycloheptylamino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[4-(cycloheptylamino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0023 |
| Compound Name: | 5-[4-(cycloheptylamino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(NC2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6523 |
| logD: | 3.6522 |
| logSw: | -3.9934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.129 |
| InChI Key: | MXZBPUTXQQUYMF-UHFFFAOYSA-N |